methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate

C16H14N2O3 — CID 171662055

IUPACmethyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)cc2cn[nH]c12
InChIInChI=1S/C16H14N2O3/c1-20-13-5-3-10(4-6-13)11-7-12-9-17-18-15(12)14(8-11)16(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyPBXIWDOZXBYBJL-UHFFFAOYSA-N
MW282.30 g/mol
LogP3.03
Rot. Bonds3

About methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate

methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate (PubChem CID 171662055) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
PubChem CID171662055
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Namemethyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)cc2)cc2cn[nH]c12
InChIInChI=1S/C16H14N2O3/c1-20-13-5-3-10(4-6-13)11-7-12-9-17-18-15(12)14(8-11)16(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyPBXIWDOZXBYBJL-UHFFFAOYSA-N
XLogP3.03
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 176998352
CID 176998352
dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate
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N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
N-(2,4-dimethoxyphenyl)-1H-indazole-7-carboxamide
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methyl 6-methoxy-1H-indazole-5-carboxylate
CID 131750256
methyl 5-methoxy-1H-indazole-6-carboxylate
CID 76846397
N-(4-chloro-2-fluorophenyl)-5-methoxy-1H-indazole-7-carboxamide
CID 71694719
methyl 2-methoxy-5-(4-methoxyphenyl)furan-3-carboxylate
CID 10038329
methyl 4-chloro-2-(4-methoxyphenyl)pyrimidine-5-carboxylate
CID 82169044
methyl 2-chloro-5-(1H-indazole-7-carbonylamino)benzoate
CID 34163636
acetic acid;4-N-[7-(6-methoxynaphthalen-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine
CID 157327076
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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate?
The IUPAC name of methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate (CID 171662055) is methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate.
What is the SMILES notation for methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate?
The canonical SMILES for methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate is COC(=O)c1cc(-c2ccc(OC)cc2)cc2cn[nH]c12.
What is the InChIKey of methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate?
The InChIKey is PBXIWDOZXBYBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-13-5-3-10(4-6-13)11-7-12-9-17-18-15(12)14(8-11)16(19)21-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate?
methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate has a molecular weight of 282.30 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-methoxyphenyl)-1H-indazole-7-carboxylate is sourced from PubChem (CID 171662055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).